Related papers: Photoabsorption in Sodium Clusters: First Principl…
A new type of resonant light absorption by a small particle (nanocluster) is reported. The problem cannot be described within the commonly used dipole scattering approximation and should be studied with methods based upon the exact Mie…
Within the framework of the local electron density functional theory, an ab-initio method is proposed that takes into account the self-interaction energy correction (SIC) for the crystal potential. The principle of dividing the unit cell…
We present a formalism for calculating the absorption coefficient of a pair of coaxial tubules. A spatially nonlocal, dynamical self-consistent field theory is obtained by calculating the electrostatic potential produced by the charge…
We show theoretically that coherent light can be completely absorbed in a two-dimensional or three-dimensional metallic nanostructure by matching the frequency and field pattern of an incident wave to that of a localized surface plasmon…
The one-dimensional contact process is analyzed by a cluster approximation. In this approach, the hierarchy of rate equations for the densities of finite length empty intervals are truncated under the assumption that adjacent intervals are…
Excited states in single quantum dots (QDs) have been shown to be useful for spin state initialization and manipulation. For scalable quantum information processing it is necessary to have multiple spins interacting. Therefore, we present…
We find that for simple metal clusters a single-electron description of the ground state employing self-interaction correction (SIC) in the framework of local-density approximation strongly contaminates the high energy photoionization cross…
The optical absorption spectra of cyclo[n]carbons (n=10, 14, 18) are investigated in the framework of time-dependent density functional theory. The collective plasmon excitations well develop as the increases of the ring size and the…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we determine reaction pathways between the low energy isomers of one of these clusters,…
Photoexcitation of the nucleon is studied in the framework of the constituent quark model with nonrelativistic quark-quark interactions. Utilizing the dominance of the pairwise structure of the relevant three-quark potential, the bound and…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$)…
Minimum energy conical intersections can be used to rationalize photochemical processes. In this Letter, we examine an algorithm to locate these structures that does not require the evaluation of nonadiabatic coupling vectors, showing that…
Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of materials properties. In particular the latter possibility has spurred the development of advanced…
A series of the cadmium selenide magic size clusters with the cores of Cd$_8$Se$_{13}$ terminated with H- and N-containing ligands are calculated at the DFT level with different functionals and ECP basis sets. The optimum functional was…
The photoluminescence spectrum of a single-layer boron nitride remains elusive, marked by enigmatic satellites that hint at a significant but unidentified exciton-phonon coupling.Here, by employing a first principles approach based on the…
With increasing energy the diamagnetic hydrogen atom undergoes a transition from regular to chaotic classical dynamics, and the closed orbits pass through various cascades of bifurcations. Closed orbit theory allows for the semiclassical…
A new linked cluster expansion for the calculation of ground state observables of complex nuclei with realistic interactions has been developed [1-3]; using the V8' potential [4] the ground state energy, density and momentum distribution of…
Thin films are preferred for high photocurrent conversion efficiency, but strong photon absorption at photon energies below the bandgap (near and shortwave infrared) typically requires thicker semiconductor layers. To address this tradeoff,…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Photothermal heterodyne detection is used to record the first room-temperature absorption spectra of single CdSe/ZnS semiconductor nanocrystals. These spectra are recorded in the high cw excitation regime, and the observed bands are…